Treprostinil Impurity 19
TL;DR: Treprostinil Impurity 19 (CAS 112421-28-0) is a chemical compound with molecular formula C23H34O5 and molecular weight 390.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
Also Known As: Treprostinil, Remodulin, Treprostinil sodium, Uniprost, Viveta
| Molecular Formula | C23H34O5 |
|---|---|
| Molecular Weight | 390.24 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 390.24063 |
| Heavy Atoms | 28 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 112421-28-0 |
|---|---|
| SMILES | CCCCC[C@H](CC[C@@H]1[C@H](C[C@@H]2[C@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O |
| InChIKey | PAJMKGZZBBTTOY-YRIDSSQKSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Treprostinil Impurity 19 (CAS 112421-28-0), with molecular formula C23H34O5 and molecular weight 390.24 g/mol. IUPAC: 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid.
Chemical Property Profile of Treprostinil Impurity 19
Property Insights of Treprostinil Impurity 19
The XLogP value of 4.5 indicates that Treprostinil Impurity 19 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Treprostinil Impurity 19. Following Lipinski's Rule of Five, Treprostinil Impurity 19 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Treprostinil Impurity 19?
The CAS number of Treprostinil Impurity 19 is 112421-28-0.
What is the molecular formula of Treprostinil Impurity 19?
The molecular formula of Treprostinil Impurity 19 is C23H34O5.
What is the molecular weight of Treprostinil Impurity 19?
The molecular weight of Treprostinil Impurity 19 is 390.24 g/mol.
Where can I buy Treprostinil Impurity 19?
You can request a quote for Treprostinil Impurity 19 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Treprostinil Impurity 19?
Yes, KEHONG BIO provides custom synthesis services for Treprostinil Impurity 19 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.